2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium

C19H11BrN3O2S+ — CID 54688305

IUPAC2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium
SMILESN#[N+]c1c(O)c2sc(-c3ccc(Br)cc3)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H10BrN3O2S/c20-12-8-6-11(7-9-12)15-10-14-18(26-15)17(24)16(22-21)19(25)23(14)13-4-2-1-3-5-13/h1-10H/p+1
InChIKeyOKTVUTKZIQQFCF-UHFFFAOYSA-O
MW425.29 g/mol
LogP5.67
Rot. Bonds2

About 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium

2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium (PubChem CID 54688305) has the molecular formula C19H11BrN3O2S+ and a molecular weight of 425.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium.

Molecular Properties

Compound Name2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium
PubChem CID54688305
Molecular FormulaC19H11BrN3O2S+
Molecular Weight425.29 g/mol
Exact Mass423.97
IUPAC Name2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium
SMILESN#[N+]c1c(O)c2sc(-c3ccc(Br)cc3)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H10BrN3O2S/c20-12-8-6-11(7-9-12)15-10-14-18(26-15)17(24)16(22-21)19(25)23(14)13-4-2-1-3-5-13/h1-10H/p+1
InChIKeyOKTVUTKZIQQFCF-UHFFFAOYSA-O
XLogP5.67
TPSA70.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.29
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-4-(4-methoxyphenyl)-5-oxo-2-phenylthieno[3,2-b]pyridine-6-diazonium
CID 54676570
5,8,13,16,21,24-hexakis-phenyl-4,12,20-trithia-8,16,24-triazaheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),5,9,11(15),13,17,19(23),21-nonaene
CID 58613017
4-bromo-10-(10-bromo-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 90078424
3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 89448363
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 90078339
2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole
CID 144587911
2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione
CID 141318810

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium?
The IUPAC name of 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium (CID 54688305) is 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium.
What is the SMILES notation for 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium?
The canonical SMILES for 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium is N#[N+]c1c(O)c2sc(-c3ccc(Br)cc3)cc2n(-c2ccccc2)c1=O.
What is the InChIKey of 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium?
The InChIKey is OKTVUTKZIQQFCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H10BrN3O2S/c20-12-8-6-11(7-9-12)15-10-14-18(26-15)17(24)16(22-21)19(25)23(14)13-4-2-1-3-5-13/h1-10H/p+1.
What are the key properties of 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium?
2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium has a molecular weight of 425.29 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7-hydroxy-5-oxo-4-phenylthieno[3,2-b]pyridine-6-diazonium is sourced from PubChem (CID 54688305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).